N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

C24H23N5O3S — CID 70795641

IUPACN-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NCCN(Cc1ccoc1)Cc1ccoc1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C24H23N5O3S/c30-24(22-21(5-12-33-22)28-20-2-7-26-23-19(20)1-6-25-23)27-8-9-29(13-17-3-10-31-15-17)14-18-4-11-32-16-18/h1-7,10-12,15-16H,8-9,13-14H2,(H,27,30)(H2,25,26,28)
InChIKeyQNWAYRGMKDICIM-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.99
Rot. Bonds10

About N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (PubChem CID 70795641) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
PubChem CID70795641
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NCCN(Cc1ccoc1)Cc1ccoc1)c1sccc1Nc1ccnc2[nH]ccc12
InChIInChI=1S/C24H23N5O3S/c30-24(22-21(5-12-33-22)28-20-2-7-26-23-19(20)1-6-25-23)27-8-9-29(13-17-3-10-31-15-17)14-18-4-11-32-16-18/h1-7,10-12,15-16H,8-9,13-14H2,(H,27,30)(H2,25,26,28)
InChIKeyQNWAYRGMKDICIM-UHFFFAOYSA-N
XLogP4.99
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide (CID 70795641) is N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is O=C(NCCN(Cc1ccoc1)Cc1ccoc1)c1sccc1Nc1ccnc2[nH]ccc12.
What is the InChIKey of N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
The InChIKey is QNWAYRGMKDICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c30-24(22-21(5-12-33-22)28-20-2-7-26-23-19(20)1-6-25-23)27-8-9-29(13-17-3-10-31-15-17)14-18-4-11-32-16-18/h1-7,10-12,15-16H,8-9,13-14H2,(H,27,30)(H2,25,26,28).
What are the key properties of N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide?
N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 4.99, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(furan-3-ylmethyl)amino]ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 70795641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).